| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 12th, 2009 | 30 | Yes |
Popular Name: 3-methyl-2-(4-phenylphenyl)-6-(trifluoromethyl)quinoline-4-carboxylic 3-methyl-2-(4-phenylphenyl)-6-(t…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 6.68 | 12.89 | -53.55 | 0 | 3 | -1 | 53 | 406.383 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PYRD-1-E | Dihydroorotate Dehydrogenase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8 | 0.38 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PYRD_HUMAN | Q02127 | Dihydroorotate Dehydrogenase, Human | 8.4 | 0.38 | Binding ≤ 1μM |
| PYRD_HUMAN | Q02127 | Dihydroorotate Dehydrogenase, Human | 8.4 | 0.38 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Pyrimidine biosynthesis |
